2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol

C13H26N2O2 — CID 79544601

IUPAC2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol
SMILESCC(O)(CO)CNC1CCCC1C1CCCN1
InChIInChI=1S/C13H26N2O2/c1-13(17,9-16)8-15-12-5-2-4-10(12)11-6-3-7-14-11/h10-12,14-17H,2-9H2,1H3
InChIKeyDZPLCWMZVOJVDC-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.24
Rot. Bonds5

About 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol

2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol (PubChem CID 79544601) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol
PubChem CID79544601
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol
SMILESCC(O)(CO)CNC1CCCC1C1CCCN1
InChIInChI=1S/C13H26N2O2/c1-13(17,9-16)8-15-12-5-2-4-10(12)11-6-3-7-14-11/h10-12,14-17H,2-9H2,1H3
InChIKeyDZPLCWMZVOJVDC-UHFFFAOYSA-N
XLogP0.24
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(2-piperidin-2-ylcyclohexyl)amino]propane-1,2-diol
CID 79552892
2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol
CID 79540258
N-(2-methoxy-2-methylpropyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 104759516
2-ethyl-2-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
CID 106251596
2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
CID 106250807
2-pyrrolidin-2-yl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 106289452
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79543505
2-methyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propan-1-ol
CID 79549663
3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
N-(2-methylprop-2-enyl)-2-pyrrolidin-2-ylcyclohexan-1-amine
CID 114615679
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
N-(2-methylpropyl)-2-piperidin-2-ylcyclopentan-1-amine
CID 79544832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol (CID 79544601) is 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol is CC(O)(CO)CNC1CCCC1C1CCCN1.
What is the InChIKey of 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol?
The InChIKey is DZPLCWMZVOJVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(17,9-16)8-15-12-5-2-4-10(12)11-6-3-7-14-11/h10-12,14-17H,2-9H2,1H3.
What are the key properties of 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol?
2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol has a molecular weight of 242.36 g/mol, XLogP of 0.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-pyrrolidin-2-ylcyclopentyl)amino]propane-1,2-diol is sourced from PubChem (CID 79544601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).